4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Chemical Structure Depiction of
4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione
Compound characteristics
| Compound ID: | 8006-6566 |
| Compound Name: | 4,7-diethyl-2-(2-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C31 H26 N2 O5 |
| Smiles: | CCC12C3C(C(N(C3=O)c3ccccc3[N+]([O-])=O)=O)C(CC)(C(=C1c1ccccc1)c1ccccc1)C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4272 |
| logD: | 5.4272 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.108 |
| InChI Key: | DYGSLDJMGUBSDS-UHFFFAOYSA-N |